(6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide

C18H18F3NO — CID 166908993

IUPAC(6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1/C3=C\C(F)(F)F)C2
InChIInChI=1S/C18H18F3NO/c19-18(20,21)8-13-11-6-16(12-4-2-1-3-5-12)9-14(13)17(7-11,10-16)15(22)23/h1-5,8,11,14H,6-7,9-10H2,(H2,22,23)/b13-8-
InChIKeyQVFYGYZRWHCWME-JYRVWZFOSA-N
MW321.34 g/mol
LogP3.72
Rot. Bonds2

About (6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide

(6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166908993) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is (6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name(6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166908993
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name(6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1/C3=C\C(F)(F)F)C2
InChIInChI=1S/C18H18F3NO/c19-18(20,21)8-13-11-6-16(12-4-2-1-3-5-12)9-14(13)17(7-11,10-16)15(22)23/h1-5,8,11,14H,6-7,9-10H2,(H2,22,23)/b13-8-
InChIKeyQVFYGYZRWHCWME-JYRVWZFOSA-N
XLogP3.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of (6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166908993) is (6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for (6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for (6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(=O)C12CC3CC(c4ccccc4)(CC1/C3=C\C(F)(F)F)C2.
What is the InChIKey of (6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is QVFYGYZRWHCWME-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H18F3NO/c19-18(20,21)8-13-11-6-16(12-4-2-1-3-5-12)9-14(13)17(7-11,10-16)15(22)23/h1-5,8,11,14H,6-7,9-10H2,(H2,22,23)/b13-8-.
What are the key properties of (6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
(6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-phenyl-6-(2,2,2-trifluoroethylidene)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166908993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).